N-[1-(3-bromophenyl)ethyl]-2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]acetamide

C22H20Br2N2O4S — CID 43873421

IUPACN-[1-(3-bromophenyl)ethyl]-2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]acetamide
SMILESCC(NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1cccc(Br)c1
InChIInChI=1S/C22H20Br2N2O4S/c1-15(16-3-2-4-18(24)13-16)25-22(27)14-30-20-9-11-21(12-10-20)31(28,29)26-19-7-5-17(23)6-8-19/h2-13,15,26H,14H2,1H3,(H,25,27)
InChIKeyHIRFQWKBAACNQB-UHFFFAOYSA-N
MW568.29 g/mol
LogP5.27
Rot. Bonds8

About N-[1-(3-bromophenyl)ethyl]-2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]acetamide

N-[1-(3-bromophenyl)ethyl]-2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 43873421) has the molecular formula C22H20Br2N2O4S and a molecular weight of 568.29 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]acetamide
PubChem CID43873421
Molecular FormulaC22H20Br2N2O4S
Molecular Weight568.29 g/mol
Exact Mass565.95
IUPAC NameN-[1-(3-bromophenyl)ethyl]-2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]acetamide
SMILESCC(NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1cccc(Br)c1
InChIInChI=1S/C22H20Br2N2O4S/c1-15(16-3-2-4-18(24)13-16)25-22(27)14-30-20-9-11-21(12-10-20)31(28,29)26-19-7-5-17(23)6-8-19/h2-13,15,26H,14H2,1H3,(H,25,27)
InChIKeyHIRFQWKBAACNQB-UHFFFAOYSA-N
XLogP5.27
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.29
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3-bromophenyl)ethyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 94861649
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 28552786
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 28552789
N-[1-(3-bromophenyl)ethyl]-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 43873317
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 28551898
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 28554860
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 124551632
N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 43873232
2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide
CID 61140560
N-[1-(3-acetamidophenyl)ethyl]-2-(4-bromophenoxy)acetamide
CID 46580359
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide
CID 28553112
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]acetamide (CID 43873421) is N-[1-(3-bromophenyl)ethyl]-2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]acetamide is CC(NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is HIRFQWKBAACNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Br2N2O4S/c1-15(16-3-2-4-18(24)13-16)25-22(27)14-30-20-9-11-21(12-10-20)31(28,29)26-19-7-5-17(23)6-8-19/h2-13,15,26H,14H2,1H3,(H,25,27).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]acetamide?
N-[1-(3-bromophenyl)ethyl]-2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]acetamide has a molecular weight of 568.29 g/mol, XLogP of 5.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 43873421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).